(E)-N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

Systemtic Name: (E)-N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide Openeye Name: (E)-N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-N-(2-pyridylmethyl)prop-2-enamide CAS Name: (E)-N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-N-(2-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide Traditional Name: (E)-N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-N-(2-pyridylmethyl)acrylamide Formula: C22H15BrN4O3S MolecularWeight: 495.3485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15BrN4O3S/c23-16-7-10-19-20(13-16)31-22(25-19)26(14-17-3-1-2-12-24-17)21(28)11-6-15-4-8-18(9-5-15)27(29)30/h1-13H,14H2/b11-6+